4-{[(2R)-2-Hydroxypropyl]Amino}-2,2-Dimethyl-7-Pentyl-2,3-Dihydro-5H-Thiochromen-5-One

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Properties Simple | Detailed

Formula C19H29NO2S
IUPAC Name 4-[[(2r)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3h-thiochromen-5-one
Molecular Mass 335.504 g·mol−1
Heat of Formation -456.3 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 432.32 Å 3
Surface Area 381.55 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-3,4-dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7-pentyl-2h-1-benzothiopyran-5-ol
  • 2h-1-benzothiopyran-5-ol, 3,4-dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7-pentyl-, (r)-
  • 4-[[(2r)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3h-thiochromen-5-one
  • 7-amyl-4-[[(2r)-2-hydroxypropyl]amino]-2,2-dimethyl-3h-thiochromen-5-one
  • fce 23819
CAS Number(s)
  • 129783-67-1
InChIKey GNAZTEQDUIBVRI-CYBMUJFWSA-N
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